Details of the Drug

General Information of Drug (ID: DMNETHQ)

• Drug Name: 1-(2,5-Dimethoxy-phenyl)-piperazine
• Synonyms: 1-(2,5-dimethoxyphenyl)piperazine; 1-(2,5-Dimethoxy-phenyl)-piperazine; CHEMBL156216; 1019-06-3; Piperazine, 1-(2,5-dimethoxyphenyl)-; AC1MBY8N; Oprea1_560724; SCHEMBL2349863; CTK0G7924; DTXSID10374340; IZFHRJZAZNTUOI-UHFFFAOYSA-N; 4-[2,5-Dimethoxyphenyl]piperazine; ZINC11632569; BDBM50226212; MFCD03444397; AKOS003591177; DB-017049

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 222.28
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H18N2O2
  IUPAC Name: 1-(2,5-dimethoxyphenyl)piperazine
  Canonical SMILES: COC1=CC(=C(C=C1)OC)N2CCNCC2
  InChI: InChI=1S/C12H18N2O2/c1-15-10-3-4-12(16-2)11(9-10)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
  InChIKey: IZFHRJZAZNTUOI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2758473
  CAS Number: 1019-06-3
  TTD ID: D02SAF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_HUMAN	Inhibitor	[1]
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Synthesis and evaluation of phenyl- and benzoylpiperazines as potential serotonergic agents. J Med Chem. 1986 May;29(5):630-4.